%chk=000246296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246296

0 1
S 0.001901 -2.142973 -0.040864
O 4.390760 0.965440 -0.320479
O -4.390730 0.947181 0.356796
N 1.885743 -0.280222 0.261164
N -1.884219 -0.272373 -0.271857
C 3.107540 -1.102203 -0.026153
C 2.278163 1.011524 0.919969
C -3.104943 -1.106199 -0.015777
C -2.278363 1.042910 -0.881209
C 0.906595 -1.023909 1.085939
C -0.904243 -0.983030 -1.124316
C 4.040285 -0.291119 -0.937852
C 3.232366 1.768032 -0.017994
C -4.038582 -0.331423 0.926084
C -3.233393 1.762126 0.084830
H 2.790895 -2.033702 -0.546563
H 3.649950 -1.405740 0.894655
H 2.763970 0.862077 1.907859
H 1.359457 1.613169 1.087403
H -2.787063 -2.056348 0.468941
H -3.647101 -1.375316 -0.947372
H -2.764118 0.930386 -1.874009
H -1.360443 1.651634 -1.025810
H 1.334342 -1.661507 1.886531
H 0.172996 -0.326373 1.550597
H -0.171528 -0.267457 -1.562178
H -1.331285 -1.590271 -1.948539
H 5.024489 -0.774609 -1.064873
H 3.579903 -0.091021 -1.921292
H 2.736537 2.052991 -0.962540
H 3.677319 2.654668 0.466349
H -5.022158 -0.820625 1.034787
H -3.578314 -0.168147 1.916356
H -2.737793 2.011722 1.039450
H -3.679534 2.665911 -0.365532


%chk=000246296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246296

0 1
S 0.000509 -2.500392 -0.044178
O 4.086738 1.219123 -0.373899
O -4.089935 1.199475 0.415945
N 1.809387 -0.389486 0.372757
N -1.806934 -0.375006 -0.384857
C 3.097445 -1.028097 0.017490
C 1.996355 0.967347 0.943340
C -3.094030 -1.029570 -0.056612
C -1.997385 1.000701 -0.906864
C 0.876611 -1.244631 1.093554
C -0.869760 -1.200285 -1.134355
C 3.876446 -0.122375 -0.949083
C 2.788820 1.833028 -0.051695
C -3.877057 -0.161962 0.941220
C -2.793401 1.827993 0.117600
H 2.882175 -1.998852 -0.467180
H 3.718016 -1.219481 0.927522
H 2.547238 0.938162 1.915268
H 1.003438 1.421535 1.125699
H -2.877333 -2.017020 0.392323
H -3.712358 -1.188235 -0.974473
H -2.547113 1.004344 -1.879909
H -1.005632 1.464053 -1.071513
H 1.338280 -1.879322 1.881291
H 0.074194 -0.626302 1.529176
H -0.064040 -0.564909 -1.538682
H -1.326157 -1.802118 -1.950604
H 4.886031 -0.519719 -1.143999
H 3.317881 -0.033971 -1.906037
H 2.194277 1.963354 -0.983015
H 3.027998 2.819462 0.379158
H -4.886033 -0.568711 1.119274
H -3.320635 -0.107966 1.901993
H -2.199912 1.926325 1.053526
H -3.034724 2.828713 -0.277677


